SCHEMBL4133827

SCHEMBL4133827

CCC1(CC)NCCc2c1c1ccccc1n2Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.43
HTR6 P50406 1/20 0.43
GUSB P08236 1/20 0.41
CNR2 P34972 2/20 0.40
PKM P14618 1/20 0.39
MAPK10 P53779 1/20 0.39
SRC P12931 1/20 0.39
CNR1 P21554 1/20 0.38
GABRA1 P14867 3/20 0.38
GABRA5 P31644 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CHRM2 P08172 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4139605 0.81 BCHE (0.44) HTR6LMNACHRM2HTR1AADRA2A
SCHEMBL4127346 0.75 HTR6 (0.43) HRH1HTR6GUSBCNR2PKM
SCHEMBL8036741 0.74 HDAC1 (0.57) HRH1HTR6GUSBCNR2PKM
SCHEMBL10155034 0.72 BCHE (0.67) ALBBCHEACHE
SCHEMBL8023447 0.70 CA1 (0.52) HRH1HTR6GUSBCNR2CHRNB2
SCHEMBL28265806 0.70 GUSB (0.52) HRH1HTR6GUSBCNR2PKM
SCHEMBL4127989 0.69 HRH1 (0.83) HRH1HTR6KDM4ELMNAALDH1A1
SCHEMBL8033028 0.67 HRH1 (0.72) HRH1HTR6KDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL23833816 0.67 BCHE (0.51) HRH1HTR6ALDH1A1ADRA2AADRA1A
SCHEMBL4689854 0.66 KDM4E (0.57) HRH1HTR6GABRA1GABRA5KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140194414-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-10 US disclosed
US-20130203746-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES INC. 2013-08-08 US disclosed
US-20130190304-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130131054-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885GUSB 4816/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885GUSB 4816/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885GUSB 4816/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885GUSB 4816/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885GUSB 4816/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885GUSB 4816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.